N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide

C17H33N3O — CID 18340166

IUPACN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCCNC(=O)C1CCCCN1
InChIInChI=1S/C17H33N3O/c1-14-8-7-9-15(2)20(14)13-6-5-12-19-17(21)16-10-3-4-11-18-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)/t14-,15+,16?
InChIKeyQKEUZFFQJXPSMM-XYPWUTKMSA-N
MW295.47 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide

N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide (PubChem CID 18340166) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
PubChem CID18340166
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCCNC(=O)C1CCCCN1
InChIInChI=1S/C17H33N3O/c1-14-8-7-9-15(2)20(14)13-6-5-12-19-17(21)16-10-3-4-11-18-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)/t14-,15+,16?
InChIKeyQKEUZFFQJXPSMM-XYPWUTKMSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
(2R)-N-(4-morpholin-4-ylbutyl)piperidine-2-carboxamide
CID 119852461
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide (CID 18340166) is N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide is C[C@@H]1CCC[C@H](C)N1CCCCNC(=O)C1CCCCN1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The InChIKey is QKEUZFFQJXPSMM-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14-8-7-9-15(2)20(14)13-6-5-12-19-17(21)16-10-3-4-11-18-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)/t14-,15+,16?.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide is sourced from PubChem (CID 18340166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).